5-chloro-3-(2-phenoxyethylsulfanyl)-1,2,4-thiadiazole

C10H9ClN2OS2 — CID 75360653

IUPAC5-chloro-3-(2-phenoxyethylsulfanyl)-1,2,4-thiadiazole
SMILESClc1nc(SCCOc2ccccc2)ns1
InChIInChI=1S/C10H9ClN2OS2/c11-9-12-10(13-16-9)15-7-6-14-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyNPHBUEIZQPXGMY-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.36
Rot. Bonds5

About 5-chloro-3-(2-phenoxyethylsulfanyl)-1,2,4-thiadiazole

5-chloro-3-(2-phenoxyethylsulfanyl)-1,2,4-thiadiazole (PubChem CID 75360653) has the molecular formula C10H9ClN2OS2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 5-chloro-3-(2-phenoxyethylsulfanyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-(2-phenoxyethylsulfanyl)-1,2,4-thiadiazole
PubChem CID75360653
Molecular FormulaC10H9ClN2OS2
Molecular Weight272.78 g/mol
Exact Mass271.98
IUPAC Name5-chloro-3-(2-phenoxyethylsulfanyl)-1,2,4-thiadiazole
SMILESClc1nc(SCCOc2ccccc2)ns1
InChIInChI=1S/C10H9ClN2OS2/c11-9-12-10(13-16-9)15-7-6-14-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyNPHBUEIZQPXGMY-UHFFFAOYSA-N
XLogP3.36
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-chloro-3-(2-phenoxyethylsulfanyl)-1,2,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-phenoxyethylsulfanyl)pyrimidine-4,6-diamine
CID 2291042
3-(2-phenoxyethylsulfanyl)-5,6-diphenyl-1,2,4-triazine
CID 6409075
2-[2-(4-chlorophenoxy)ethylsulfanyl]pyrimidine
CID 2184843
5-chloro-2-(2-phenoxyethylsulfanyl)pyridine
CID 112815251
6-methyl-2-(2-phenoxyethylsulfanyl)pyrimidin-4-amine
CID 47110969
2-(2-phenoxyethylsulfanyl)quinazoline-4-thiolate
CID 7044269
5-(4-methylphenyl)-3-(2-phenoxyethylsulfanyl)-1H-1,2,4-triazole
CID 7557018
5-(2-phenoxyethylsulfanyl)-N-phenyl-1,3,4-thiadiazol-2-amine
CID 2161516
2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethylsulfanyl]pyrimidine
CID 2199669
ethane;2-methylsulfanylethoxybenzene
CID 54419236
2-(3-chloro-1-benzothiophen-2-yl)-5-(2-phenoxyethylsulfanyl)-1,3,4-oxadiazole
CID 7940623
4-[2-(4-chlorophenoxy)ethylsulfanyl]-2-methylquinazoline
CID 3493216

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-phenoxyethylsulfanyl)-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-(2-phenoxyethylsulfanyl)-1,2,4-thiadiazole (CID 75360653) is 5-chloro-3-(2-phenoxyethylsulfanyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-(2-phenoxyethylsulfanyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-(2-phenoxyethylsulfanyl)-1,2,4-thiadiazole is Clc1nc(SCCOc2ccccc2)ns1.
What is the InChIKey of 5-chloro-3-(2-phenoxyethylsulfanyl)-1,2,4-thiadiazole?
The InChIKey is NPHBUEIZQPXGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS2/c11-9-12-10(13-16-9)15-7-6-14-8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 5-chloro-3-(2-phenoxyethylsulfanyl)-1,2,4-thiadiazole?
5-chloro-3-(2-phenoxyethylsulfanyl)-1,2,4-thiadiazole has a molecular weight of 272.78 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-phenoxyethylsulfanyl)-1,2,4-thiadiazole is sourced from PubChem (CID 75360653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).